(2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide

C17H19NOS — CID 95341983

IUPAC(2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)SCc1cccc2ccccc12
InChIInChI=1S/C17H19NOS/c1-3-11-18-17(19)13(2)20-12-15-9-6-8-14-7-4-5-10-16(14)15/h3-10,13H,1,11-12H2,2H3,(H,18,19)/t13-/m1/s1
InChIKeyDPLMSILROZMLTE-CYBMUJFWSA-N
MW285.41 g/mol
LogP3.76
Rot. Bonds6

About (2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide

(2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide (PubChem CID 95341983) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide
PubChem CID95341983
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)SCc1cccc2ccccc12
InChIInChI=1S/C17H19NOS/c1-3-11-18-17(19)13(2)20-12-15-9-6-8-14-7-4-5-10-16(14)15/h3-10,13H,1,11-12H2,2H3,(H,18,19)/t13-/m1/s1
InChIKeyDPLMSILROZMLTE-CYBMUJFWSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide
CID 94192877
2-naphthalen-1-yl-N-prop-2-enylacetamide
CID 60636686
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-prop-2-enylpropanamide
CID 42892245
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 8563039
2-(3-aminophenyl)sulfanyl-N-prop-2-enylpropanamide
CID 79134025
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 8726103
(2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide
CID 95155989
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 46623488
2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220464
2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058118

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide (CID 95341983) is (2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)SCc1cccc2ccccc12.
What is the InChIKey of (2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide?
The InChIKey is DPLMSILROZMLTE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-11-18-17(19)13(2)20-12-15-9-6-8-14-7-4-5-10-16(14)15/h3-10,13H,1,11-12H2,2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide?
(2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide has a molecular weight of 285.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 95341983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).